N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

C21H25F2N3O — CID 55432399

IUPACN-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCc1ccccc1CN1CCN(C(C)C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H25F2N3O/c1-15-5-3-4-6-17(15)14-25-9-11-26(12-10-25)16(2)21(27)24-18-7-8-19(22)20(23)13-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,27)
InChIKeySJCJYSRXYVIYEA-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.42
Rot. Bonds5

About N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide

N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide (PubChem CID 55432399) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
PubChem CID55432399
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
SMILESCc1ccccc1CN1CCN(C(C)C(=O)Nc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C21H25F2N3O/c1-15-5-3-4-6-17(15)14-25-9-11-26(12-10-25)16(2)21(27)24-18-7-8-19(22)20(23)13-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,27)
InChIKeySJCJYSRXYVIYEA-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 9257224
N-(4-ethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide
CID 55432378
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
(2R)-2-(4-ethylpiperazin-1-yl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 30623055
(2S)-N-(3,4-difluorophenyl)-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 30739495
N-(3,4-difluorophenyl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propanamide
CID 42926177
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30737955
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 9268335
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
4-fluoro-N'-[(2R)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanoyl]benzohydrazide
CID 9441563
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
(2R)-2-[4-[2-(dimethylamino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 30956481

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide (CID 55432399) is N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide is Cc1ccccc1CN1CCN(C(C)C(=O)Nc2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
The InChIKey is SJCJYSRXYVIYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-15-5-3-4-6-17(15)14-25-9-11-26(12-10-25)16(2)21(27)24-18-7-8-19(22)20(23)13-18/h3-8,13,16H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide?
N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 55432399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).